(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile

C11H19N3 — CID 118533847

IUPAC(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile
SMILESN#C[C@H]1CCCN(C2CCNCC2)C1
InChIInChI=1S/C11H19N3/c12-8-10-2-1-7-14(9-10)11-3-5-13-6-4-11/h10-11,13H,1-7,9H2/t10-/m1/s1
InChIKeyWCLRXLMZBADPBD-SNVBAGLBSA-N
MW193.29 g/mol
LogP0.97
Rot. Bonds1

About (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile

(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile (PubChem CID 118533847) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile
PubChem CID118533847
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile
SMILESN#C[C@H]1CCCN(C2CCNCC2)C1
InChIInChI=1S/C11H19N3/c12-8-10-2-1-7-14(9-10)11-3-5-13-6-4-11/h10-11,13H,1-7,9H2/t10-/m1/s1
InChIKeyWCLRXLMZBADPBD-SNVBAGLBSA-N
XLogP0.97
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-cyclohexylpyrrolidine-3-carbonitrile
CID 134459247
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-3-carbonitrile
CID 79903255
3-(cyclopropylmethyl)-1-piperidin-4-ylpiperidine
CID 156735020
3-cyclobutyloxy-1-piperidin-4-ylpiperidine
CID 176957476
1-piperidin-4-ylpiperidine chloride
CID 3083875
3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957509
3-tert-butyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957482
(4R)-azepane-4-carbonitrile;hydrochloride
CID 171641118
1-piperidin-4-yl-1,4-diazepane
CID 53414008
(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol
CID 129494886

Frequently Asked Questions

What is the IUPAC name of (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile?
The IUPAC name of (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile (CID 118533847) is (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile.
What is the SMILES notation for (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile?
The canonical SMILES for (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile is N#C[C@H]1CCCN(C2CCNCC2)C1.
What is the InChIKey of (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile?
The InChIKey is WCLRXLMZBADPBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N3/c12-8-10-2-1-7-14(9-10)11-3-5-13-6-4-11/h10-11,13H,1-7,9H2/t10-/m1/s1.
What are the key properties of (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile?
(3S)-1-piperidin-4-ylpiperidine-3-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-piperidin-4-ylpiperidine-3-carbonitrile is sourced from PubChem (CID 118533847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).